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ALA4578881 Name:
4,5-dibromo-3-methyl-1-(piperazin-1-yl)-7,8-dihydr
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Cas Number:
1609452-30-3
Mol. Formula:
C15H19Br2ClN4
M.W.:
450.61
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
33.09
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4578440 Name:
(6-fluoro-4-(piperidin-1-yl)quinolin-3-yl)(4-metho
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Mol. Formula:
C22H21FN2O2
M.W.:
364.42
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
42.43
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4780260 Name:
4-(9-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido
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Mol. Formula:
C27H18ClF3N6O4
M.W.:
582.93
Type:
Unknown
AlogP:
6.24
Polar Surface Area:
125.55
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4779550 Name:
1-(2-fluoroethyl)-4,4-dimethyl-1,4-dihydropyrrolo[
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Mol. Formula:
C15H16FN3O2
M.W.:
289.31
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
70.14
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4777657 Name:
1-[10-(2-Amino-pyridin-4-yl)-11-oxo-10,11-dihydro-
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Mol. Formula:
C25H16ClF3N6O3
M.W.:
540.89
Type:
Unknown
AlogP:
6.46
Polar Surface Area:
122.47
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4784797 Name:
1-(11-Oxo-10-pyridin-4-ylmethyl-10,11-dihydro-5-ox
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Mol. Formula:
C25H19N5O3
M.W.:
437.46
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
96.45
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4784034 Name:
1-(11-Oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
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Mol. Formula:
C21H19N5O3
M.W.:
389.42
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
96.45
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4782031 Name:
N-(11-oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
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Mol. Formula:
C25H18N4O3
M.W.:
422.44
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
84.42
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4781614 Name:
N-(5-oxo-6-(pyridin-4-yl)-5,6-dihydrobenzo[b]pyrid
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Mol. Formula:
C24H16N4O3
M.W.:
408.42
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
84.42
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4796082 Name:
1-(10-Furan-3-yl-11-oxo-10,11-dihydro-5-oxa-4,10-d
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Mol. Formula:
C23H16N4O4
M.W.:
412.41
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
96.70
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4795220 Name:
1-(2-methoxyethyl)-4,4-dimethyl-1,4-dihydropyrrolo
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Mol. Formula:
C16H19N3O3
M.W.:
301.35
Type:
Unknown
AlogP:
1.92
Polar Surface Area:
79.37
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4795034 Name:
N-(11-oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
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Mol. Formula:
C24H16N4O5S
M.W.:
472.48
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
118.56
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4794940 Name:
2-Hydroxy-2-methyl-N-(11-oxo-10-pyridin-4-yl-10,11
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Mol. Formula:
C21H18N4O4
M.W.:
390.40
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
104.65
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4793909 Name:
(3S,5S,8R,9S,10S,13S,14S)-17-(isoquinolin-7-yl)-N,
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Mol. Formula:
C30H40N2
M.W.:
428.66
Type:
Unknown
AlogP:
7.20
Polar Surface Area:
16.13
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4792974 Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(5-oxo-6-
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Mol. Formula:
C25H15ClF3N5O3
M.W.:
525.87
Type:
Unknown
AlogP:
6.88
Polar Surface Area:
96.45
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4791801 Name:
1-(11-Oxo-10-pyridin-4-yl-10,11-dihydro-dibenzo[b,
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Mol. Formula:
C25H18N4O3
M.W.:
422.44
Type:
Unknown
AlogP:
5.81
Polar Surface Area:
83.56
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4791276 Name:
1-ethyl-4,4-dimethyl-1,4-dihydropyrrolo[2',3':4,5]
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Mol. Formula:
C15H17N3O2
M.W.:
271.32
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
70.14
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA4788035 Name:
1-(11-oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
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Mol. Formula:
C24H17N5O3
M.W.:
423.43
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
96.45
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4786883 Name:
3,3,3-Trifluoro-2-hydroxy-2-methyl-N-(11-oxo-10-py
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Mol. Formula:
C21H15F3N4O4
M.W.:
444.37
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
104.65
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4786534 Name:
1-(11-Oxo-10-pyridin-3-yl-10,11-dihydro-5-oxa-4,10
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Mol. Formula:
C24H17N5O3
M.W.:
423.43
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
96.45
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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